(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide

C16H20N2OS — CID 107568606

IUPAC(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15H,2,7,17H2,1H3,(H,18,19)/t13-,15?/m0/s1
InChIKeyQZHSMJJRMUIUQQ-CFMCSPIPSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds6

About (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide

(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide (PubChem CID 107568606) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
PubChem CID107568606
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15H,2,7,17H2,1H3,(H,18,19)/t13-,15?/m0/s1
InChIKeyQZHSMJJRMUIUQQ-CFMCSPIPSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide (CID 107568606) is (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide is CCC[C@H](N)C(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
The InChIKey is QZHSMJJRMUIUQQ-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-6,8-11,13,15H,2,7,17H2,1H3,(H,18,19)/t13-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide?
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide has a molecular weight of 288.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 107568606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).